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1-Hydroxycrisamicin A

CAT: 0804-HY-N14362Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N14362Size:1 Each
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Description
1-Hydroxycrisamicin A has anti-Gram-positive bacteria activity with a MIC of 0.78-3.12 μg/mL[1].
CAS Number
204198-17-4
UNSPSC
12352005
Target
Bacterial
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
O=C1C2=C(C(O)(OC3([H])C2([H])OC(C3)=O)C)C(C4=CC(C5=CC(O)=C(C(C6=C(C(OC7([H])C6([H])OC(C7)=O)C)C8=O)=O)C8=C5)=CC(O)=C41)=O
Molecular Formula
C32H22O13
Molecular Weight
614.51
References & Citations
[1]W H Yeo, et al. 1-Hydroxycrisamicin A, a new isochromanquinone antibacterial antibiotic, produced by Micromonospora sp. SA246. J Antibiot (Tokyo) . 1998 Jan;51 (1) :82-4.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

1-Hydroxycrisamicin A

1-hydroxycrisamicin A is an organic heterotetracyclic compound isolated from the culture broth of Micromonospora sp. SA-246. It exhibits potent antibacterial activity against several Gram-positive bacterial strains. It has a role as a metabolite and an antibacterial agent. It is a member of p-quinones, an organic hydroxy compound, a cyclic ether, a gamma-lactone and an organic heterotetracyclic compound.

CAS Number204198-17-4
PubChem CID70678750
IUPAC Name(11S,15S,17S)-7,17-dihydroxy-5-[(11S,15S,17S)-7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl]-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
Molecular FormulaC32H22O13
Molecular Weight614.5
XLogP0.9
Topological Polar Surface Area200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count1
Heavy Atom Count45
Formal Charge0
Complexity1540
SMILES
C[C@H]1C2=C([C@H]3[C@@H](O1)CC(=O)O3)C(=O)C4=C(C2=O)C=C(C=C4O)C5=CC6=C(C(=C5)O)C(=O)C7=C(C6=O)[C@@](O[C@@H]8[C@H]7OC(=O)C8)(C)O
InChI
InChI=1S/C32H22O13/c1-9-20-23(30-16(42-9)7-18(35)43-30)28(39)21-12(26(20)37)3-10(5-14(21)33)11-4-13-22(15(34)6-11)29(40)24-25(27(13)38)32(2,41)45-17-8-19(36)44-31(17)24/h3-6,9,16-17,30-31,33-34,41H,7-8H2,1-2H3/t9-,16-,17-,30+,31+,32-/m0/s1
InChIKey
RGOCVNGEBMGCNA-WIDQCZIUSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxycrisamicin A
CAS: 204198-17-4
CID: 70678750
Formula: C32H22O13
MW: 614.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.5
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count1
Exact Mass614.10604075
Monoisotopic Mass614.10604075
Topological Polar Surface Area200 Ų
Heavy Atom Count45
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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